Crystallography Open Database

Information card for entry 7041836

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Coordinates	7041836.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cd Ge2 Na2 Se6
Calculated formula	Cd Ge2 Na2 Se6
Title of publication	Na2CdGe2Q6 (Q = S, Se): two metal-mixed chalcogenides with phase-matching abilities and large second-harmonic generation responses.
Authors of publication	Li, Guang-Mao; Liu, Qiong; Wu, Kui; Yang, Zhi-Hua; Pan, Shi-Lie
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	9
Pages of publication	2778 - 2784
a	7.589 ± 0.004 Å
b	13.182 ± 0.007 Å
c	12.069 ± 0.006 Å
α	90°
β	98.829 ± 0.007°
γ	90°
Cell volume	1193.1 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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